BDBM50416875 AMG-073::AMG073 HCL::CINACALCET::CINACALCET HYDROCHLORIDE::US9487494, Cinacalcet

SMILES: C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12

InChI Key: InChIKey=VDHAWDNDOKGFTD-MRXNPFEDSA-N

Data: 2 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50416875   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	37
LEO PHARMA A/S US Patent					Assay Description Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...				US Patent US9487494 (2016) BindingDB Entry DOI: 10.7270/Q21V5CX3
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...				J Med Chem 58: 2958-66 (2015) Article DOI: 10.1021/jm501873p BindingDB Entry DOI: 10.7270/Q22F7Q4V
					More data for this Ligand-Target Pair
Calcium-sensing receptor (CaSR) (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium-sensing receptor (CaSR) (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	19.9	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in bacterial membranes using AMMC as substrate preincubated for 10 mins followed by NADPH addition m...				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Calcium-sensing receptor (CaSR) (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Galapagos SASU Curated by ChEMBL					Assay Description Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 23: 2451-4 (2013) Article DOI: 10.1016/j.bmcl.2013.01.078 BindingDB Entry DOI: 10.7270/Q2930VJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)